ethyl 3-[furan-2-ylmethyl-[6-[3-(2-hydroxyethyloxy)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[3-(2-hydroxyethyloxy)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[3-(2-hydroxyethoxy)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[3-(2-hydroxyethoxy)phenoxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[3-(2-hydroxyethoxy)phenoxy]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[3-(2-hydroxyethoxy)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C22H24N4O8 MolecularWeight: 472.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC(=CC=C3)OCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC(=CC=C3)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O8/c1-2-31-19(28)8-9-25(14-18-7-4-11-32-18)21-20(26(29)30)22(24-15-23-21)34-17-6-3-5-16(13-17)33-12-10-27/h3-7,11,13,15,27H,2,8-10,12,14H2,1H3